Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:37 UTC
Update Date2025-03-25 00:55:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02214339
Frequency0.5
Structure
Chemical FormulaC10H16N2O3
Molecular Mass212.1161
SMILESCCOC(O)c1cnc(C)c(O)c1CN
InChI KeyJBOFDBGZWCTMKE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • aromatic alcohols
  • azacyclic compounds
  • hemiacetals
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • aromatic alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • primary aliphatic amine
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound